CID 32100

4-hydroxy-1-phenethylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CN(CCC1(C#N)O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-11H2
InChIKey
XIUVZQCJSZGEJF-UHFFFAOYSA-N
Compound name
4-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.8
[M+Na]+ 253.13112 161.7
[M-H]- 229.13462 156.2
[M+NH4]+ 248.17572 169.5
[M+K]+ 269.10506 155.7
[M+H-H2O]+ 213.13916 140.0
[M+HCOO]- 275.14010 168.3
[M+CH3COO]- 289.15575 198.6
[M+Na-2H]- 251.11657 158.4
[M]+ 230.14135 144.7
[M]- 230.14245 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.